%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF100/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 7H2O-solo/ CONF100 water 0 1 O -1.2536411760 1.9248470128 -0.4610644901 H -0.3988632967 1.8644499276 0.0344221606 H -1.9223784524 2.0304837092 0.2235027355 H 1.9391525136 1.1499818684 -2.1210142105 O -2.1930298272 -0.9572601729 1.6077046169 H -2.1047006763 -0.9457632418 0.6358923783 O -1.5492320197 -0.6505469649 -1.0872269168 H -2.1336807475 -0.7626509481 -1.8434976600 H -2.4243332876 -0.0491962862 1.8276218830 H -1.4589340102 0.3271360382 -0.9478240881 O 2.4343157447 0.6868113264 -1.4386454182 H 1.9734069123 -0.1732579163 -1.3491940601 O 0.9951503846 -1.5917625150 -0.9515366482 H 0.0666251823 -1.3097600833 -1.1037764828 H 1.1129988978 -2.3980199077 -1.4628962114 O 0.6030361815 -0.9220106641 1.8879080227 H 0.8447479637 -1.3310904175 1.0434327555 H -0.3742182174 -0.9450258142 1.8819843888 O 1.0841623255 1.6277453938 0.8331392910 H 1.6367839604 1.3751070764 0.0666745719 H 0.9145295692 0.7760995878 1.2857580080 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF100/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 7H2O-solo/ CONF100 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF100/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 7H2O-solo/ CONF100 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF100/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 7H2O-solo/ CONF100 water 0 1